Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 5/20 | 0.56 |
| ▸ | CCR8 | P51685 | 5/20 | 0.56 |
| ▸ | COMT | P21964 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CCR5 | P51681 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.46 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28808995 | 1.00 | CCR1 (0.56) | CCR1CCR8COMTALDH1A1CCR5 | |
| SCHEMBL23339299 | 0.92 | CCR1 (0.62) | CCR1CCR8COMTALDH1A1CCR5 | |
| SCHEMBL15372035 | 0.86 | ALDH1A1 (0.61) | CCR1CCR8ALDH1A1CCR5NPC1 | |
| SCHEMBL28810098 | 0.84 | CCR1 (0.53) | CCR1CCR8ALDH1A1CCR5NPC1 | |
| SCHEMBL29720366 | 0.84 | CCR1 (0.53) | CCR1CCR8ALDH1A1CCR5NPC1 | |
| SCHEMBL29720504 | 0.84 | TOP1 (0.55) | CCR1CCR8ALDH1A1CCR5NPC1 | |
| SCHEMBL28809053 | 0.84 | ALDH1A1 (0.63) | CCR1CCR8ALDH1A1CCR5MEN1 | |
| SCHEMBL28453678 | 0.84 | ALDH1A1 (0.54) | CCR1CCR8COMTALDH1A1CCR5 | |
| SCHEMBL29720513 | 0.84 | ALDH1A1 (0.63) | CCR1CCR8ALDH1A1CCR5MEN1 | |
| SCHEMBL28808961 | 0.84 | TOP1 (0.55) | CCR1CCR8ALDH1A1CCR5NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114736158-A | Substituted aza [5] helicene derivative and preparation method and application thereof | 苏州大学 | 2022-07-12 | — | — | CN | disclosed |